Molecule

ID:113644

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₁ClF₃N₃
Molecular Mass
373.7589496
Exact Mass
373.05935971
Charge
0
InChI
InChI=1S/C19H11ClF3N3/c20-17-16-15(12-5-2-1-3-6-12)10-26(18(16)25-11-24-17)14-8-4-7-13(9-14)19(21,22)23/h1-11H
InChIKey
NDCAGZOPDGCTOH-UHFFFAOYSA-N
Canonic Smiles
Clc1ncnc2c1c(cn2c1cccc(c1)C(F)(F)F)c1ccccc1
Isomeric Smiles
c12n(cc(c1c(ncn2)Cl)c1ccccc1)c1cc(C(F)(F)F)ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.394243
LogD (pH = 7.4)
5.408811
Log P
5.409
Molar Refractivity
105.731
Polarizability
37.157665
Polar Surface Area
30.71
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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